1-(3-hydroxypiperidin-1-yl)-2-(2-methyl-1,3-thiazol-4-yl)ethanone

C11H16N2O2S — CID 43390808

IUPAC1-(3-hydroxypiperidin-1-yl)-2-(2-methyl-1,3-thiazol-4-yl)ethanone
SMILESCc1nc(CC(=O)N2CCCC(O)C2)cs1
InChIInChI=1S/C11H16N2O2S/c1-8-12-9(7-16-8)5-11(15)13-4-2-3-10(14)6-13/h7,10,14H,2-6H2,1H3
InChIKeyIUFWURBBGVGUFK-UHFFFAOYSA-N
MW240.33 g/mol
LogP0.98
Rot. Bonds2

About 1-(3-hydroxypiperidin-1-yl)-2-(2-methyl-1,3-thiazol-4-yl)ethanone

1-(3-hydroxypiperidin-1-yl)-2-(2-methyl-1,3-thiazol-4-yl)ethanone (PubChem CID 43390808) has the molecular formula C11H16N2O2S and a molecular weight of 240.33 g/mol. Its IUPAC name is 1-(3-hydroxypiperidin-1-yl)-2-(2-methyl-1,3-thiazol-4-yl)ethanone.

Molecular Properties

Compound Name1-(3-hydroxypiperidin-1-yl)-2-(2-methyl-1,3-thiazol-4-yl)ethanone
PubChem CID43390808
Molecular FormulaC11H16N2O2S
Molecular Weight240.33 g/mol
Exact Mass240.09
IUPAC Name1-(3-hydroxypiperidin-1-yl)-2-(2-methyl-1,3-thiazol-4-yl)ethanone
SMILESCc1nc(CC(=O)N2CCCC(O)C2)cs1
InChIInChI=1S/C11H16N2O2S/c1-8-12-9(7-16-8)5-11(15)13-4-2-3-10(14)6-13/h7,10,14H,2-6H2,1H3
InChIKeyIUFWURBBGVGUFK-UHFFFAOYSA-N
XLogP0.98
TPSA53.43 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.33
LogP ≤ 50.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(3-hydroxypiperidin-1-yl)-2-(2-methyl-1,3-thiazol-4-yl)ethanone?
The IUPAC name of 1-(3-hydroxypiperidin-1-yl)-2-(2-methyl-1,3-thiazol-4-yl)ethanone (CID 43390808) is 1-(3-hydroxypiperidin-1-yl)-2-(2-methyl-1,3-thiazol-4-yl)ethanone.
What is the SMILES notation for 1-(3-hydroxypiperidin-1-yl)-2-(2-methyl-1,3-thiazol-4-yl)ethanone?
The canonical SMILES for 1-(3-hydroxypiperidin-1-yl)-2-(2-methyl-1,3-thiazol-4-yl)ethanone is Cc1nc(CC(=O)N2CCCC(O)C2)cs1.
What is the InChIKey of 1-(3-hydroxypiperidin-1-yl)-2-(2-methyl-1,3-thiazol-4-yl)ethanone?
The InChIKey is IUFWURBBGVGUFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O2S/c1-8-12-9(7-16-8)5-11(15)13-4-2-3-10(14)6-13/h7,10,14H,2-6H2,1H3.
What are the key properties of 1-(3-hydroxypiperidin-1-yl)-2-(2-methyl-1,3-thiazol-4-yl)ethanone?
1-(3-hydroxypiperidin-1-yl)-2-(2-methyl-1,3-thiazol-4-yl)ethanone has a molecular weight of 240.33 g/mol, XLogP of 0.98, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-hydroxypiperidin-1-yl)-2-(2-methyl-1,3-thiazol-4-yl)ethanone is sourced from PubChem (CID 43390808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).